General Information of the Compound
| Compound ID |
CP0535497
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| Compound Name |
1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-3-[1,3,4]thiadiazol-2-yl-urea
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| Structure |
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| Formula |
C24H27N7O3S
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| Molecular Weight |
493.593
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nncs3)C2=O)c1
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| InChI |
InChI=1S/C24H27N7O3S/c1-15(2)26-22(33)27-18-8-5-6-16(12-18)13-31-20-9-4-3-7-17(20)10-11-19(21(31)32)28-23(34)29-24-30-25-14-35-24/h3-9,12,14-15,19H,10-11,13H2,1-2H3,(H2,26,27,33)(H2,28,29,30,34)
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| InChIKey |
GJTYHSNPRILYEL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound